Migrate gmx msd to the trajectoryanalysis framework
[alexxy/gromacs.git] / src / gromacs / trajectoryanalysis / tests / refdata / MsdModuleTest_beginFit.xml
1 <?xml version="1.0"?>
2 <?xml-stylesheet type="text/xsl" href="referencedata.xsl"?>
3 <ReferenceData>
4   <String Name="CommandLine">-trestart 2 -sel 3 -beginfit 20</String>
5   <OutputFiles Name="Files">
6     <File Name="-o">
7       <XvgLegend Name="DiffusionCoefficient"></XvgLegend>
8       <XvgLegend Name="Legend">
9         <String>title "Mean Squared Displacement"</String>
10         <String>xaxis  label "tau (ps)"</String>
11         <String>yaxis  label "MSD (nm\\S2\\N)"</String>
12         <String>TYPE xy</String>
13         <String>s0 legend "D[some_water_subset] = 4.2232 (+/- 0.4722) (1e-5 cm^2/s)"</String>
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